6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid

Formula:C16H18N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C16H18N2O3
Smiles	N#Cc1c(/C=C/C(NCCCCCC(O)=O)=O)cccc1
InChI	InChI=1S/C16H18N2O3/c17-12-14-7-4-3-6-13(14)9-10-15(19)18-11-5-1-2-8-16(20)21/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,18,19)(H,20,21)
InChIK	KEFXQCAUPVTQMN-UHFFFAOYSA-N
TotalMolweight	286.33
Molweight	286.33
MonoisotopicMass	286.131743
CLogP	2.2108
CLogS	-3.619
H Acceptors	5
H Donors	2
TotalSurfaceArea	243.58
Relative PSA	0.26357
PolarSurfaceArea	90.19
Druglikeness	-14.969
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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